3D Molecular Similarity: Method and Algorithms
نویسندگان
چکیده
منابع مشابه
SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening
We developed a novel approach called SHAFTS (SHApe-FeaTure Similarity) for 3D molecular similarity calculation and ligand-based virtual screening. SHAFTS adopts a hybrid similarity metric combined with molecular shape and colored (labeled) chemistry groups annotated by pharmacophore features for 3D similarity calculation and ranking, which is designed to integrate the strength of pharmacophore ...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2006
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.5.39